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Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics

Theoretical chemistry accounts, 2023-02, Vol.142 (2), Article 15

2023

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Relativistic coupled-cluster investigation of parity (P) and time-reversal (T ) symmetry violations in HgF

The Journal of chemical physics, 2019-02, Vol.150 (8), p.084304-084304

2019

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Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study

The Journal of chemical physics, 2016-03, Vol.144 (12), p.124307-124307

2016

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Theoretical study on ThF+, a prospective system in search of time-reversal violation

New journal of physics, 2015-04, Vol.17 (4), p.43005

2015

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The DIRAC code for relativistic molecular calculations

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204104-204104

2020

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Permanent electric dipole moment of diatomic molecules using relativistic extended–coupled–cluster method

Theoretical chemistry accounts, 2024-05, Vol.143 (5), Article 43

2024

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Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides

The Journal of chemical physics, 2020-11, Vol.153 (18), p.184306-184306

2020

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A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, implementation, and benchmark

The Journal of chemical physics, 2022-11, Vol.157 (20), p.204106-204106

2022

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A reduced cost four-component relativistic unitary coupled cluster method for atoms and molecules

The Journal of chemical physics, 2024-07, Vol.161 (3)

2024

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Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential

The Journal of chemical physics, 2016-08, Vol.145 (7), p.074110-074110

2016

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TaN, a molecular system for probing P , T -violating hadron physics

Physical review. A, 2016-01, Vol.93 (1), Article 012505

2016

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A reduced cost four-component relativistic coupled cluster method based on natural spinors

The Journal of chemical physics, 2022-05, Vol.156 (20), p.204120-204120

2022

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Molecular frame dipole moment of diatomic molecules within relativistic coupled‐cluster framework: A comparative study of expectation value versus energy derivative approach

International journal of quantum chemistry, 2021-10, Vol.121 (20), p.n/a

2021

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Enhanced P,T-violating nuclear magnetic quadrupole moment effects in laser-coolable molecules

The Journal of chemical physics, 2020-02, Vol.152 (8), p.084303-084303

2020

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Ab initio calculations of permanent dipole moments and dipole polarizabilities of alkaline-earth monofluorides

Journal of physics. B, Atomic, molecular, and optical physics, 2019-04, Vol.52 (8), p.85101

2019

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Calculations of P and T-odd interaction constants of alkaline-earth monofluorides using KRCI method

Journal of physics. B, Atomic, molecular, and optical physics, 2020-07, Vol.53 (13)

2020

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Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states

The Journal of chemical physics, 2020-03, Vol.152 (10), p.104302-104302

2020

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Relativistic coupled-cluster study of BaF in search of $\boldsymbol{\mathcal{CP}}$ violation

Journal of physics. B, Atomic, molecular, and optical physics, 2020-07, Vol.53 (13), p.135102

2020

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Electron-nucleus scalar-pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework

Molecular physics, 2017-11, Vol.115 (21-22), p.2807-2812

2017

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Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework

The Journal of chemical physics, 2015-08, Vol.143 (8), p.084119-084119

2015

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Relativistic coupled-cluster study of RaF as a candidate for the parity- and time-reversal-violating interaction

Physical review. A, 2016-06, Vol.93 (6), Article 062506

2016

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Re-appraisal of the hyperfine-structure constants in YbF: relativistic configuration interaction approach

Journal of physics. B, Atomic, molecular, and optical physics, 2014-11, Vol.47 (22), p.225103-5

2014

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Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework

Journal of chemical sciences (Bangalore, India), 2016-10, Vol.128 (10), p.1671-1675

2016

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Ab initio calculation of the P -odd interaction constant W A in YbF: a relativistic configuration-interaction approach

Journal of physics. B, Atomic, molecular, and optical physics, 2013-09, Vol.46 (17), p.175102

2013

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Ab initio calculation of the P-odd interaction constant WA in YbF: a relativistic configuration-interaction approach

Journal of physics. B, Atomic, molecular, and optical physics, 2013-09, Vol.46 (17)

2013

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Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics

Relativistic coupled-cluster investigation of parity (P) and time-reversal (T ) symmetry violations in HgF

Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study

Theoretical study on ThF+, a prospective system in search of time-reversal violation

The DIRAC code for relativistic molecular calculations

Permanent electric dipole moment of diatomic molecules using relativistic extended–coupled–cluster method

Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides

A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, implementation, and benchmark

A reduced cost four-component relativistic unitary coupled cluster method for atoms and molecules

Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential

TaN, a molecular system for probing P , T -violating hadron physics

A reduced cost four-component relativistic coupled cluster method based on natural spinors

Molecular frame dipole moment of diatomic molecules within relativistic coupled‐cluster framework: A comparative study of expectation value versus energy derivative approach

Enhanced P,T-violating nuclear magnetic quadrupole moment effects in laser-coolable molecules

Ab initio calculations of permanent dipole moments and dipole polarizabilities of alkaline-earth monofluorides

Calculations of P and T-odd interaction constants of alkaline-earth monofluorides using KRCI method

Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states

Relativistic coupled-cluster study of BaF in search of $\boldsymbol{\mathcal{CP}}$ violation

Electron-nucleus scalar-pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework

Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework

Relativistic coupled-cluster study of RaF as a candidate for the parity- and time-reversal-violating interaction

Re-appraisal of the hyperfine-structure constants in YbF: relativistic configuration interaction approach

Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework

Ab initio calculation of the P -odd interaction constant W A in YbF: a relativistic configuration-interaction approach

Ab initio calculation of the P-odd interaction constant WA in YbF: a relativistic configuration-interaction approach

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